N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide

C16H26N2O2S — CID 110301508

IUPACN-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCCN(CC)C(C)CNC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-4-18(5-2)13(3)12-17-16(20)10-6-8-14(19)15-9-7-11-21-15/h7,9,11,13H,4-6,8,10,12H2,1-3H3,(H,17,20)
InChIKeySHDADUVEMMHLAY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.95
Rot. Bonds10

About N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide

N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110301508) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110301508
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCCN(CC)C(C)CNC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-4-18(5-2)13(3)12-17-16(20)10-6-8-14(19)15-9-7-11-21-15/h7,9,11,13H,4-6,8,10,12H2,1-3H3,(H,17,20)
InChIKeySHDADUVEMMHLAY-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
CID 110620401
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 110301508) is N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide is CCN(CC)C(C)CNC(=O)CCCC(=O)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is SHDADUVEMMHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(5-2)13(3)12-17-16(20)10-6-8-14(19)15-9-7-11-21-15/h7,9,11,13H,4-6,8,10,12H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 310.46 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110301508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).